A SELF-CONSISTENT CHARGE X-ALPHA METHOD .1. THEORY

被引：80

作者：

GRODZICKI, M

机构：

来源：

关键词：

D O I：

10.1088/0022-3700/13/14/008

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：2683 / 2691

页数：9

共 17 条

[1] MUFFIN-TIN ORBITALS AND MOLECULAR CALCULATIONS - GENERAL FORMALISM
ANDERSEN, OK
WOOLLEY, RG
[J]. MOLECULAR PHYSICS, 1973, 26 (04) : 905 - 927
[2] Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure
Baerends, E. J.
Ellis, D. E.
Ros, P.
[J]. CHEMICAL PHYSICS, 1973, 2 (01) : 41 - 51
[3] THE EVALUATION OF INTEGRALS OCCURRING IN THE THEORY OF MOLECULAR STRUCTURE .1.2.
BARNETT, MP
COULSON, CA
[J]. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 243 (864) : 221 - 249
[4] VALENCE ORBITAL IONIZATION POTENTIALS FROM ATOMIC SPECTRAL DATA
BASCH, H
VISTE, A
GRAY, HB
[J]. THEORETICA CHIMICA ACTA, 1965, 3 (05): : 458 - &
[5] Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[6] MUFFIN-TIN ORBITALS AND TOTAL ENERGY OF ATOMIC CLUSTERS
GUNNARSSON, O
HARRIS, J
JONES, RO
[J]. PHYSICAL REVIEW B, 1977, 15 (06): : 3027 - 3038
[7] Johnson K. H., 1973, ADV QUANTUM CHEM, V7, P143
[8] QUANTUM THEORY OF COHESIVE PROPERTIES OF SOLIDS
LOWDIN, PO
[J]. ADVANCES IN PHYSICS, 1956, 5 (17) : 1 - 172
[9] ENERGY BANDS FOR SOLID ARGON
MATTHEISS, L
[J]. PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (5A): : 1399 - &
[10] MOORE CE, 1949, NBS467 CIRC